N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C14H24N2O4 — CID 163865588

IUPACN-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCCCOCCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H24N2O4/c1-3-4-8-20-9-6-15-12(17)5-7-16-13(18)10-11(2)14(16)19/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyPGIKEHCPWASFIB-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.70
Rot. Bonds9

About N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 163865588) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID163865588
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC NameN-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCCCOCCNC(=O)CCN1C(=O)CC(C)C1=O
InChIInChI=1S/C14H24N2O4/c1-3-4-8-20-9-6-15-12(17)5-7-16-13(18)10-11(2)14(16)19/h11H,3-10H2,1-2H3,(H,15,17)
InChIKeyPGIKEHCPWASFIB-UHFFFAOYSA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-3-oxopentoxy)ethyl]propanamide
CID 121480755
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl N-ethylcarbamate
CID 167208030
N-(4-methoxybutyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 59331203
N-(2-hydroxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 90191256
2-[2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexoxy]ethoxy]-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]acetamide
CID 58143581
N-(5-acetamidopentyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 58519834
12-(3-methyl-2,5-dioxopyrrolidin-1-yl)-10-oxo-N-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-[2-[2-[2-oxo-5-[2-(2-oxopropoxy)ethoxy]pentoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethyl]dodecanamide
CID 58143532
N-[2-(2-methoxyethylsulfonyl)ethyl]-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 156791281
(2S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanamide
CID 178056500
(2S)-3-methyl-2-[3-[2-[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]-N-(2-oxopropyl)butanamide
CID 144981797
2-[2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]ethoxy]ethyl N-[2-[2-(2-methoxyethylamino)-2-oxoethoxy]ethyl]carbamate
CID 71121241
3-(3-cycloheptyl-2,5-dioxopyrrolidin-1-yl)-N-(2-ethoxyethyl)propanamide
CID 134387206

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 163865588) is N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCCCOCCNC(=O)CCN1C(=O)CC(C)C1=O.
What is the InChIKey of N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is PGIKEHCPWASFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-3-4-8-20-9-6-15-12(17)5-7-16-13(18)10-11(2)14(16)19/h11H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 284.36 g/mol, XLogP of 0.70, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 163865588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).